CID 389241

2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-3h-benzo[f]chromen-3-one

Structural Information

Molecular Formula
C23H15NO3S
SMILES
COC1=CC=C(C=C1)C2=NC(=CS2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O
InChI
InChI=1S/C23H15NO3S/c1-26-16-9-6-15(7-10-16)22-24-20(13-28-22)19-12-18-17-5-3-2-4-14(17)8-11-21(18)27-23(19)25/h2-13H,1H3
InChIKey
QKLJNZJRPPHLQV-UHFFFAOYSA-N
Compound name
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]benzo[f]chromen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.07727 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.08455 190.2
[M+Na]+ 408.06649 203.0
[M-H]- 384.06999 202.7
[M+NH4]+ 403.11109 203.7
[M+K]+ 424.04043 197.3
[M+H-H2O]+ 368.07453 181.5
[M+HCOO]- 430.07547 208.3
[M+CH3COO]- 444.09112 202.3
[M+Na-2H]- 406.05194 194.1
[M]+ 385.07672 198.2
[M]- 385.07782 198.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.